General Information of the Compound
| Compound ID |
CP0379258
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| Compound Name |
(2S)-2-[[2-[5-(isoquinolin-6-ylamino)indol-1-yl]acetyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cn1ccc2cc(Nc3ccc4cnccc4c3)ccc12)C(O)=O
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| InChI |
InChI=1S/C25H26N4O3/c1-16(2)11-22(25(31)32)28-24(30)15-29-10-8-18-13-21(5-6-23(18)29)27-20-4-3-19-14-26-9-7-17(19)12-20/h3-10,12-14,16,22,27H,11,15H2,1-2H3,(H,28,30)(H,31,32)/t22-/m0/s1
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| InChIKey |
XQQGVGHKCUWNGM-QFIPXVFZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound